%chk=000272913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272913

0 1
O -3.362657 -0.186816 2.717045
O -2.539531 -0.639430 -1.819353
O 0.459226 2.656023 0.990882
O 6.820860 0.866523 1.071638
O 7.361501 -1.102653 0.109940
N -2.606657 -0.458857 0.514937
N 1.084047 -0.317876 -1.334859
N -0.253359 1.526773 1.371398
C -1.167940 -0.610281 0.815953
C 0.129739 0.753505 -0.991194
C -0.392778 0.639794 0.432007
C -4.891860 -0.061228 0.787892
C -4.636400 -0.217027 -0.604149
C -3.603230 -0.212922 1.542756
C -3.169797 -0.464271 -0.805404
C 2.407618 -0.299801 -0.905824
C -6.163509 0.182798 1.257991
C -5.652126 -0.130715 -1.530954
C 0.543525 -1.458563 -2.108277
C -7.209579 0.273631 0.307459
C -6.960586 0.120399 -1.050859
C 3.289734 -1.362575 -1.253005
C 2.908457 0.784601 -0.132154
C 4.612324 -1.328571 -0.841233
C 4.233900 0.799412 0.268566
C 5.104083 -0.252414 -0.077020
C 6.509861 -0.267635 0.332557
C 8.190488 0.968689 1.538027
H -1.057904 -0.821517 1.913084
H -0.762892 -1.493267 0.267602
H -0.739796 0.722222 -1.698190
H 0.614216 1.752426 -1.141382
H -6.364276 0.303271 2.323838
H -5.461536 -0.250254 -2.598507
H 0.708057 -2.416162 -1.585751
H 1.023657 -1.513132 -3.101858
H -0.547541 -1.346035 -2.271673
H -8.225017 0.467615 0.658544
H -7.780219 0.193356 -1.768289
H 2.942662 -2.203391 -1.844474
H 2.258072 1.610518 0.155342
H 5.293305 -2.143714 -1.107587
H 4.619478 1.633754 0.862982
H 0.489405 3.198994 1.851391
H 8.418932 0.122313 2.193503
H 8.189571 1.919720 2.078752
H 8.870170 0.983168 0.680112


%chk=000272913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272913

0 1
O -3.116010 -0.011448 2.757869
O -2.646402 -0.520164 -1.902209
O 0.285466 3.192719 0.315808
O 6.772336 0.647019 1.385229
O 7.234381 -1.399440 0.364415
N -2.529475 -0.243505 0.458028
N 1.093572 -0.204632 -1.546660
N -0.368885 2.017354 0.910934
C -1.064808 -0.248331 0.637277
C 0.234418 0.971794 -1.323092
C -0.381349 0.999545 0.079481
C -4.811384 -0.141799 0.937051
C -4.666812 -0.305001 -0.462260
C -3.447644 -0.109561 1.554400
C -3.206208 -0.373805 -0.783294
C 2.391094 -0.246071 -1.020850
C -6.075698 -0.047434 1.536513
C -5.781580 -0.379493 -1.310170
C 0.617339 -1.275824 -2.440298
C -7.211034 -0.119321 0.687089
C -7.066322 -0.283284 -0.713884
C 3.261542 -1.348132 -1.308286
C 2.894849 0.805868 -0.185328
C 4.559226 -1.394207 -0.780239
C 4.196253 0.746433 0.333283
C 5.051229 -0.352716 0.050352
C 6.427475 -0.456003 0.578985
C 8.137836 0.607425 1.948305
H -0.893981 -0.312417 1.725477
H -0.639480 -1.141444 0.149533
H -0.588430 0.940476 -2.057849
H 0.794272 1.908714 -1.486298
H -6.175681 0.076725 2.619208
H -5.658507 -0.507075 -2.390120
H 0.697704 -2.269449 -1.957146
H 1.197512 -1.308707 -3.384723
H -0.443916 -1.105010 -2.674757
H -8.215047 -0.047845 1.118540
H -7.960621 -0.336392 -1.343738
H 2.924676 -2.164379 -1.952287
H 2.274837 1.674281 0.054447
H 5.220402 -2.238342 -1.004195
H 4.567670 1.556130 0.968026
H 0.265703 3.841039 1.065786
H 8.268066 -0.285061 2.584144
H 8.226432 1.530283 2.539703
H 8.888681 0.580883 1.140003


